KEGG   DRUG: AcalabrutinibHelp
Entry
D10893                      Drug                                   

Name
Acalabrutinib (JAN/USAN/INN);
Calquence (TN)
Product
Formula
C26H23N7O2
Exact mass
465.1913
Mol weight
465.5065
Structure
Mol fileKCF fileDB search
Remark
Product: D10893<US>
Efficacy
Antineoplastic, Bruton's tyrosine kinase inhibitor
  Disease
Mantle cell lymphoma [DS:H01464]
Target
BTK [HSA:695] [KO:K07370]
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Non-receptor tyrosine kinases
   Tec family
    BTK
     D10893  Acalabrutinib (JAN/USAN/INN) <US>
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D10893
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10893
BRITE hierarchy
Other DBs
CAS: 1420477-60-6
PubChem: 336445211
ChEMBL: CHEMBL3707348
LinkDB All DBs
KCF data Show

ATOM        35
            1   C8x C    11.8861  -14.8205
            2   N5x N    11.8861  -16.2190
            3   C8y C    13.0748  -16.9183
            4   C8y C    14.3336  -16.2190
            5   N4y N    14.3336  -14.8205
            6   C8x C    13.0748  -14.1213
            7   N1a N    13.0748  -18.3168
            8   C8y C    15.6621  -16.6386
            9   N5x N    16.4313  -15.5198
            10  C8y C    15.6621  -14.4009
            11  C8y C    16.8509  -17.3379
            12  C8x C    16.8509  -18.7364
            13  C8x C    18.1095  -19.4356
            14  C8y C    19.2983  -18.7364
            15  C8x C    19.2983  -17.3379
            16  C8x C    18.1095  -16.6386
            17  C1y C    16.1516  -13.0724
            18  N1y N    17.5502  -12.6528
            19  C1x C    17.5502  -11.2543
            20  C1x C    16.2215  -10.7649
            21  C1x C    15.3824  -11.8836
            22  C5a C    18.7388  -13.3521
            23  C3b C    19.9276  -12.6528
            24  O5a O    18.7388  -14.7506
            25  C3b C    21.1862  -11.9535
            26  C1a C    22.3750  -11.2543
            27  C5a C    20.5123  -19.4307
            28  N1b N    21.6994  -18.7387
            29  O5a O    20.5181  -20.8338
            30  C8y C    22.8946  -19.4221
            31  C8x C    22.9007  -20.8336
            32  C8x C    24.1147  -21.5278
            33  C8x C    25.3229  -20.8234
            34  C8x C    25.3169  -19.4119
            35  N5x N    24.1028  -18.7178
BOND        39
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     3   7 1
            8     4   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    8  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   11  16 1
            19   17  10 1 #Down
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   17  21 1
            25   18  22 1
            26   22  23 1
            27   22  24 2
            28   23  25 3
            29   25  26 1
            30   14  27 1
            31   27  28 1
            32   27  29 2
            33   28  30 1
            34   30  31 2
            35   31  32 1
            36   32  33 2
            37   33  34 1
            38   34  35 2
            39   30  35 1

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