CFam Chemical Families Database
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You are searching for "CFAMM00302214" in compound.

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CFAM Mol ID CFAMM00302214
Family CFFID4093 cAMP-dependent protein kinase type I-alpha regulatory subunit and cAMP-dependent protein kinase type II-beta regulatory subunit Inhibitor Adcahxarg4nh(ch2)6nh2 Family
Superfamily CFSCD172 Adenosine receptor A2a Binder Superfamily
Class CFCAD172 Class 172
External ID DNC014666 External Source TTD
PubChem CID 44387500 Functional Category Investigative Drug
Molecule Name AdcAhxArg4NH(CH2)6NH2
IUPAC Name (2S,3S,4R,5R)-N-[6-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-(6-aminohexylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carboxamide
Synonyms CHEMBL263964;CHEBI:395980;DNC014666
InChi InChI=1S/C46H84N24O9/c47-17-5-1-2-6-18-57-37(74)26(12-8-20-59-43(49)50)67-39(76)28(14-10-22-61-45(53)54)69-40(77)29(15-11-23-62-46(55)56)68-38(75)27(13-9-21-60-44(51)52)66-30(71)16-4-3-7-19-58-41(78)34-32(72)33(73)42(79-34)70-25-65-31-35(48)63-24-64-36(31)70/h24-29,32-34,42,72-73H,1-23,47H2,(H,57,74)(H,58,78)(H,66,71)(H,67,76)(H,68,75)(H,69,77)(H2,48,63,64)(H4,49,50,59)(H4,51,52,60)(H4,53,54,61)(H4,55,56,62)/t26-,27-,28-,29-,32-,33+,34-,42+/m0/s1
Formula C46H84N24O9 Molecular Weight 1117.31
Cross Link CHEMBL263964

Statistics of CFAM Database

CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.

How to cite our database

C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).

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National University of Singapore, Singapore

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